Geometry & MOs

Info

ID:	177025
PubChem CID:	76126076
Reduced:	IO3N4C10H11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	6.06
IP(EA), eV:	-10.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-[(4-methoxyphenyl)methylidene]-1,2,4a,5,6,7,8,8a-octahydrocyclopenta[b]chromen-9-one

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC3C2=NC=NC3=O)CI)O

DOS

IR

Vibrations